Keratins(CAS No. 68238-35-7)

Identification and Related Records

【Name】
Keratins
【CAS Registry number】
68238-35-7
【Synonyms】
Keratec IFP-HMW
Keratin
【EINECS(EC#)】
269-409-1
【Molecular Formula】
C10H16N2O7 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
【Canonical SMILES】
C(CC(=O)O)C(C(=O)NC(CCC(=O)O)C(=O)O)N
【Isomers smiles】
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

Chemical and Physical Properties

【Appearance】
urea solution
【Density】
1.00 g/mL at 20 °C
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:276.24324 [g/mol]
Molecular Formula:C10H16N2O7
XLogP3:-5.1
H-Bond Donor:5
H-Bond Acceptor:8
Rotatable Bond Count:9
Tautomer Count:2
Exact Mass:276.095751
MonoIsotopic Mass:276.095751
Topological Polar Surface Area:167
Heavy Atom Count:19
Formal Charge:0
Complexity:369
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:2
Feature 3D Anion Count:3
Feature 3D Cation Count:1
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:33

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R22
【Safety Statements 】
24/25

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